USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= -0.066 USER MOD Set 1.2: A 73 HIS :FLIP no HE2:sc= -3.73! F(o=-5.2,f=-3.9!) USER MOD Set 1.3: A 76 SER OG : rot -14:sc= -0.114 USER MOD Set 2.1: A 12 ASN : amide:sc= -1.37 K(o=-0.97,f=-3.5!) USER MOD Set 2.2: A 23 THR OG1 : rot 133:sc= 0.4 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= -0.0127 (180deg=-0.156) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.018) USER MOD Single : A 31 THR OG1 : rot 123:sc= 1.21 USER MOD Single : A 35 SER OG : rot -145:sc= -5.79! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.369 K(o=-0.37,f=-2!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.91 K(o=-2.9,f=-9.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -30:sc= -0.472 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 45:sc=-0.00836 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 3.274 -6.829 -5.896 1.00 0.00 N ATOM 63 CA GLU A 5 3.347 -5.448 -6.355 1.00 0.00 C ATOM 64 C GLU A 5 1.965 -4.813 -6.362 1.00 0.00 C ATOM 65 O GLU A 5 1.633 -3.999 -5.501 1.00 0.00 O ATOM 66 CB GLU A 5 3.965 -5.385 -7.755 1.00 0.00 C ATOM 67 CG GLU A 5 5.211 -4.518 -7.831 1.00 0.00 C ATOM 68 CD GLU A 5 5.750 -4.396 -9.243 1.00 0.00 C ATOM 69 OE1 GLU A 5 4.952 -4.520 -10.196 1.00 0.00 O ATOM 70 OE2 GLU A 5 6.970 -4.177 -9.395 1.00 0.00 O ATOM 0 HA GLU A 5 3.981 -4.890 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.215 -6.395 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.222 -5.001 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.982 -3.524 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.982 -4.939 -7.186 1.00 0.00 H new ATOM 77 N SER A 6 1.167 -5.203 -7.339 1.00 0.00 N ATOM 78 CA SER A 6 -0.191 -4.691 -7.475 1.00 0.00 C ATOM 79 C SER A 6 -1.161 -5.530 -6.650 1.00 0.00 C ATOM 80 O SER A 6 -0.809 -6.610 -6.175 1.00 0.00 O ATOM 81 CB SER A 6 -0.617 -4.692 -8.944 1.00 0.00 C ATOM 82 OG SER A 6 -0.334 -3.447 -9.558 1.00 0.00 O ATOM 0 H SER A 6 1.435 -5.877 -8.056 1.00 0.00 H new ATOM 0 HA SER A 6 -0.210 -3.666 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.098 -5.490 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.684 -4.902 -9.016 1.00 0.00 H new ATOM 0 HG SER A 6 -0.614 -3.474 -10.497 1.00 0.00 H new ATOM 88 N ILE A 7 -2.380 -5.031 -6.480 1.00 0.00 N ATOM 89 CA ILE A 7 -3.388 -5.746 -5.708 1.00 0.00 C ATOM 90 C ILE A 7 -4.719 -5.804 -6.449 1.00 0.00 C ATOM 91 O ILE A 7 -5.298 -4.773 -6.791 1.00 0.00 O ATOM 92 CB ILE A 7 -3.609 -5.095 -4.327 1.00 0.00 C ATOM 93 CG1 ILE A 7 -4.612 -5.910 -3.504 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.084 -3.657 -4.485 1.00 0.00 C ATOM 95 CD1 ILE A 7 -4.156 -6.173 -2.085 1.00 0.00 C ATOM 0 H ILE A 7 -2.693 -4.139 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.012 -6.759 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.658 -5.084 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.565 -5.381 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.790 -6.863 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.235 -3.213 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.334 -3.084 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.024 -3.643 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.914 -6.755 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.219 -6.730 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.006 -5.224 -1.569 1.00 0.00 H new ATOM 107 N ARG A 8 -5.203 -7.018 -6.684 1.00 0.00 N ATOM 108 CA ARG A 8 -6.472 -7.213 -7.372 1.00 0.00 C ATOM 109 C ARG A 8 -7.573 -7.547 -6.371 1.00 0.00 C ATOM 110 O ARG A 8 -8.067 -8.673 -6.326 1.00 0.00 O ATOM 111 CB ARG A 8 -6.350 -8.330 -8.411 1.00 0.00 C ATOM 112 CG ARG A 8 -7.624 -8.559 -9.210 1.00 0.00 C ATOM 113 CD ARG A 8 -8.275 -9.888 -8.859 1.00 0.00 C ATOM 114 NE ARG A 8 -9.727 -9.771 -8.743 1.00 0.00 N ATOM 115 CZ ARG A 8 -10.501 -10.688 -8.166 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.967 -11.788 -7.650 1.00 0.00 N ATOM 117 NH2 ARG A 8 -11.813 -10.504 -8.105 1.00 0.00 N ATOM 0 H ARG A 8 -4.735 -7.881 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.732 -6.286 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.539 -8.089 -9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.076 -9.256 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.326 -7.748 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.395 -8.536 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.030 -10.625 -9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.864 -10.256 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.174 -8.938 -9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.959 -11.934 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.565 -12.487 -7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.229 -9.660 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.406 -11.206 -7.663 1.00 0.00 H new ATOM 131 N PHE A 9 -7.950 -6.559 -5.567 1.00 0.00 N ATOM 132 CA PHE A 9 -8.989 -6.747 -4.564 1.00 0.00 C ATOM 133 C PHE A 9 -10.370 -6.504 -5.164 1.00 0.00 C ATOM 134 O PHE A 9 -10.725 -5.373 -5.495 1.00 0.00 O ATOM 135 CB PHE A 9 -8.754 -5.813 -3.373 1.00 0.00 C ATOM 136 CG PHE A 9 -8.930 -4.356 -3.700 1.00 0.00 C ATOM 137 CD1 PHE A 9 -7.903 -3.636 -4.288 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.122 -3.708 -3.417 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.061 -2.296 -4.588 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.286 -2.369 -3.715 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.255 -1.662 -4.301 1.00 0.00 C ATOM 0 H PHE A 9 -7.551 -5.620 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.945 -7.778 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.442 -6.082 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.745 -5.971 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.968 -4.127 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.932 -4.256 -2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.253 -1.745 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.220 -1.876 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.381 -0.615 -4.535 1.00 0.00 H new ATOM 151 N GLY A 10 -11.144 -7.575 -5.309 1.00 0.00 N ATOM 152 CA GLY A 10 -12.474 -7.455 -5.875 1.00 0.00 C ATOM 153 C GLY A 10 -12.452 -6.880 -7.279 1.00 0.00 C ATOM 154 O GLY A 10 -11.503 -7.109 -8.029 1.00 0.00 O ATOM 0 H GLY A 10 -10.874 -8.522 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.948 -8.436 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.084 -6.819 -5.233 1.00 0.00 H new ATOM 158 N PRO A 11 -13.490 -6.120 -7.667 1.00 0.00 N ATOM 159 CA PRO A 11 -13.569 -5.514 -8.999 1.00 0.00 C ATOM 160 C PRO A 11 -12.613 -4.334 -9.166 1.00 0.00 C ATOM 161 O PRO A 11 -12.483 -3.782 -10.258 1.00 0.00 O ATOM 162 CB PRO A 11 -15.020 -5.040 -9.082 1.00 0.00 C ATOM 163 CG PRO A 11 -15.411 -4.781 -7.668 1.00 0.00 C ATOM 164 CD PRO A 11 -14.666 -5.791 -6.838 1.00 0.00 C ATOM 0 HA PRO A 11 -13.286 -6.217 -9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.109 -4.139 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.659 -5.796 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.151 -3.765 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.488 -4.886 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.373 -5.379 -5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.275 -6.673 -6.637 1.00 0.00 H new ATOM 172 N ASN A 12 -11.948 -3.950 -8.079 1.00 0.00 N ATOM 173 CA ASN A 12 -11.010 -2.834 -8.114 1.00 0.00 C ATOM 174 C ASN A 12 -9.574 -3.328 -8.259 1.00 0.00 C ATOM 175 O ASN A 12 -9.180 -4.317 -7.641 1.00 0.00 O ATOM 176 CB ASN A 12 -11.142 -1.991 -6.845 1.00 0.00 C ATOM 177 CG ASN A 12 -12.154 -0.873 -6.996 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.383 -0.371 -8.097 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.767 -0.475 -5.887 1.00 0.00 N ATOM 0 H ASN A 12 -12.042 -4.395 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.252 -2.219 -8.981 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.435 -2.633 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.171 -1.566 -6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.458 0.274 -5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.547 -0.919 -4.995 1.00 0.00 H new ATOM 186 N VAL A 13 -8.796 -2.626 -9.076 1.00 0.00 N ATOM 187 CA VAL A 13 -7.400 -2.982 -9.303 1.00 0.00 C ATOM 188 C VAL A 13 -6.496 -1.770 -9.107 1.00 0.00 C ATOM 189 O VAL A 13 -6.598 -0.785 -9.838 1.00 0.00 O ATOM 190 CB VAL A 13 -7.185 -3.547 -10.719 1.00 0.00 C ATOM 191 CG1 VAL A 13 -5.770 -4.086 -10.870 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.210 -4.628 -11.025 1.00 0.00 C ATOM 0 H VAL A 13 -9.110 -1.805 -9.593 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.143 -3.752 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.320 -2.738 -11.437 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.637 -4.481 -11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.054 -3.282 -10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.604 -4.881 -10.143 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.042 -5.015 -12.030 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.111 -5.438 -10.303 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.213 -4.207 -10.962 1.00 0.00 H new ATOM 202 N PHE A 14 -5.618 -1.844 -8.113 1.00 0.00 N ATOM 203 CA PHE A 14 -4.704 -0.746 -7.821 1.00 0.00 C ATOM 204 C PHE A 14 -3.351 -0.962 -8.489 1.00 0.00 C ATOM 205 O PHE A 14 -2.778 -2.049 -8.420 1.00 0.00 O ATOM 206 CB PHE A 14 -4.520 -0.596 -6.310 1.00 0.00 C ATOM 207 CG PHE A 14 -3.783 0.652 -5.917 1.00 0.00 C ATOM 208 CD1 PHE A 14 -2.423 0.774 -6.154 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.450 1.705 -5.310 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.743 1.921 -5.794 1.00 0.00 C ATOM 211 CE2 PHE A 14 -3.775 2.855 -4.948 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.419 2.963 -5.191 1.00 0.00 C ATOM 0 H PHE A 14 -5.520 -2.651 -7.497 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.141 0.168 -8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.499 -0.596 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.979 -1.463 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.889 -0.037 -6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.510 1.625 -5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.683 2.003 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.306 3.668 -4.476 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.889 3.861 -4.910 1.00 0.00 H new ATOM 222 N TYR A 15 -2.843 0.085 -9.131 1.00 0.00 N ATOM 223 CA TYR A 15 -1.554 0.018 -9.806 1.00 0.00 C ATOM 224 C TYR A 15 -0.478 0.709 -8.976 1.00 0.00 C ATOM 225 O TYR A 15 -0.389 1.937 -8.955 1.00 0.00 O ATOM 226 CB TYR A 15 -1.644 0.660 -11.192 1.00 0.00 C ATOM 227 CG TYR A 15 -2.409 -0.170 -12.197 1.00 0.00 C ATOM 228 CD1 TYR A 15 -3.793 -0.274 -12.131 1.00 0.00 C ATOM 229 CD2 TYR A 15 -1.747 -0.850 -13.212 1.00 0.00 C ATOM 230 CE1 TYR A 15 -4.495 -1.033 -13.048 1.00 0.00 C ATOM 231 CE2 TYR A 15 -2.443 -1.610 -14.133 1.00 0.00 C ATOM 232 CZ TYR A 15 -3.816 -1.698 -14.047 1.00 0.00 C ATOM 233 OH TYR A 15 -4.512 -2.454 -14.962 1.00 0.00 O ATOM 0 H TYR A 15 -3.306 0.991 -9.197 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.282 -1.031 -9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.122 1.635 -11.101 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.636 0.833 -11.569 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.329 0.246 -11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.671 -0.784 -13.282 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.571 -1.105 -12.982 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.914 -2.132 -14.916 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.885 -2.855 -15.599 1.00 0.00 H new ATOM 243 N VAL A 16 0.330 -0.088 -8.286 1.00 0.00 N ATOM 244 CA VAL A 16 1.397 0.443 -7.442 1.00 0.00 C ATOM 245 C VAL A 16 2.397 1.278 -8.241 1.00 0.00 C ATOM 246 O VAL A 16 3.171 2.043 -7.666 1.00 0.00 O ATOM 247 CB VAL A 16 2.157 -0.683 -6.709 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.419 -1.086 -5.442 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.359 -1.886 -7.621 1.00 0.00 C ATOM 0 H VAL A 16 0.267 -1.106 -8.294 1.00 0.00 H new ATOM 0 HA VAL A 16 0.909 1.084 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 16 3.140 -0.304 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.969 -1.881 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.337 -0.225 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.421 -1.442 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.897 -2.666 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.389 -2.268 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.936 -1.586 -8.496 1.00 0.00 H new ATOM 259 N LEU A 17 2.386 1.129 -9.563 1.00 0.00 N ATOM 260 CA LEU A 17 3.304 1.875 -10.419 1.00 0.00 C ATOM 261 C LEU A 17 2.566 2.908 -11.271 1.00 0.00 C ATOM 262 O LEU A 17 3.180 3.833 -11.803 1.00 0.00 O ATOM 263 CB LEU A 17 4.078 0.916 -11.325 1.00 0.00 C ATOM 264 CG LEU A 17 5.225 0.165 -10.646 1.00 0.00 C ATOM 265 CD1 LEU A 17 6.166 1.139 -9.954 1.00 0.00 C ATOM 266 CD2 LEU A 17 4.681 -0.851 -9.654 1.00 0.00 C ATOM 0 H LEU A 17 1.755 0.502 -10.063 1.00 0.00 H new ATOM 0 HA LEU A 17 4.001 2.407 -9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.380 0.187 -11.737 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.481 1.481 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 17 5.789 -0.369 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.975 0.586 -9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.581 1.828 -10.689 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.617 1.702 -9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.510 -1.376 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.094 -0.338 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.049 -1.568 -10.178 1.00 0.00 H new ATOM 278 N LYS A 18 1.253 2.743 -11.407 1.00 0.00 N ATOM 279 CA LYS A 18 0.450 3.663 -12.207 1.00 0.00 C ATOM 280 C LYS A 18 -0.301 4.662 -11.330 1.00 0.00 C ATOM 281 O LYS A 18 -0.593 5.778 -11.760 1.00 0.00 O ATOM 282 CB LYS A 18 -0.541 2.880 -13.068 1.00 0.00 C ATOM 283 CG LYS A 18 -0.750 3.473 -14.449 1.00 0.00 C ATOM 284 CD LYS A 18 -1.085 2.396 -15.466 1.00 0.00 C ATOM 285 CE LYS A 18 -1.344 2.988 -16.842 1.00 0.00 C ATOM 286 NZ LYS A 18 -2.567 3.838 -16.861 1.00 0.00 N ATOM 0 H LYS A 18 0.725 1.985 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 18 1.128 4.224 -12.850 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.187 1.854 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.500 2.835 -12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.555 4.207 -14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.150 4.003 -14.760 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.263 1.682 -15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.964 1.843 -15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.484 3.583 -17.149 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.450 2.183 -17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.823 4.055 -17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.350 3.330 -16.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.382 4.724 -16.348 1.00 0.00 H new ATOM 300 N LEU A 19 -0.616 4.256 -10.104 1.00 0.00 N ATOM 301 CA LEU A 19 -1.338 5.119 -9.174 1.00 0.00 C ATOM 302 C LEU A 19 -2.750 5.402 -9.679 1.00 0.00 C ATOM 303 O LEU A 19 -3.179 6.555 -9.742 1.00 0.00 O ATOM 304 CB LEU A 19 -0.586 6.439 -8.966 1.00 0.00 C ATOM 305 CG LEU A 19 0.881 6.312 -8.535 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.104 5.058 -7.703 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.796 6.317 -9.747 1.00 0.00 C ATOM 0 H LEU A 19 -0.383 3.336 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.407 4.597 -8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.624 7.007 -9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.117 7.023 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 19 1.123 7.174 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.153 4.996 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.482 5.099 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.837 4.179 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.832 6.226 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.545 5.478 -10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.669 7.250 -10.295 1.00 0.00 H new ATOM 319 N THR A 20 -3.469 4.344 -10.039 1.00 0.00 N ATOM 320 CA THR A 20 -4.832 4.483 -10.539 1.00 0.00 C ATOM 321 C THR A 20 -5.640 3.214 -10.287 1.00 0.00 C ATOM 322 O THR A 20 -5.391 2.176 -10.900 1.00 0.00 O ATOM 323 CB THR A 20 -4.818 4.803 -12.034 1.00 0.00 C ATOM 324 OG1 THR A 20 -3.966 5.902 -12.303 1.00 0.00 O ATOM 325 CG2 THR A 20 -6.187 5.136 -12.588 1.00 0.00 C ATOM 0 H THR A 20 -3.131 3.383 -9.994 1.00 0.00 H new ATOM 0 HA THR A 20 -5.306 5.304 -10.001 1.00 0.00 H new ATOM 0 HB THR A 20 -4.458 3.896 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.969 6.091 -13.265 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.106 5.353 -13.653 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.855 4.288 -12.440 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.587 6.008 -12.070 1.00 0.00 H new ATOM 333 N VAL A 21 -6.610 3.305 -9.383 1.00 0.00 N ATOM 334 CA VAL A 21 -7.456 2.164 -9.053 1.00 0.00 C ATOM 335 C VAL A 21 -8.523 1.950 -10.121 1.00 0.00 C ATOM 336 O VAL A 21 -9.397 2.793 -10.317 1.00 0.00 O ATOM 337 CB VAL A 21 -8.144 2.348 -7.686 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.819 1.057 -7.249 1.00 0.00 C ATOM 339 CG2 VAL A 21 -7.140 2.812 -6.641 1.00 0.00 C ATOM 0 H VAL A 21 -6.830 4.157 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.806 1.290 -9.007 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.911 3.116 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.299 1.207 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.569 0.771 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.073 0.267 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.644 2.937 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.349 2.069 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.707 3.764 -6.950 1.00 0.00 H new ATOM 349 N GLU A 22 -8.444 0.817 -10.811 1.00 0.00 N ATOM 350 CA GLU A 22 -9.402 0.494 -11.861 1.00 0.00 C ATOM 351 C GLU A 22 -10.776 0.194 -11.270 1.00 0.00 C ATOM 352 O GLU A 22 -10.885 -0.376 -10.184 1.00 0.00 O ATOM 353 CB GLU A 22 -8.909 -0.701 -12.681 1.00 0.00 C ATOM 354 CG GLU A 22 -8.696 -0.381 -14.153 1.00 0.00 C ATOM 355 CD GLU A 22 -9.352 -1.394 -15.072 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.817 -2.516 -15.197 1.00 0.00 O ATOM 357 OE2 GLU A 22 -10.400 -1.065 -15.666 1.00 0.00 O ATOM 0 H GLU A 22 -7.727 0.108 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.492 1.360 -12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.972 -1.061 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.631 -1.513 -12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.096 0.610 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.627 -0.345 -14.362 1.00 0.00 H new ATOM 364 N THR A 23 -11.821 0.583 -11.992 1.00 0.00 N ATOM 365 CA THR A 23 -13.189 0.358 -11.542 1.00 0.00 C ATOM 366 C THR A 23 -14.127 0.176 -12.733 1.00 0.00 C ATOM 367 O THR A 23 -14.004 0.874 -13.740 1.00 0.00 O ATOM 368 CB THR A 23 -13.661 1.532 -10.682 1.00 0.00 C ATOM 369 OG1 THR A 23 -12.581 2.087 -9.953 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.738 1.155 -9.688 1.00 0.00 C ATOM 0 H THR A 23 -11.746 1.056 -12.892 1.00 0.00 H new ATOM 0 HA THR A 23 -13.207 -0.553 -10.944 1.00 0.00 H new ATOM 0 HB THR A 23 -14.076 2.253 -11.386 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.594 3.063 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.026 2.035 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.607 0.771 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.358 0.388 -9.013 1.00 0.00 H new ATOM 378 N PRO A 24 -15.083 -0.765 -12.638 1.00 0.00 N ATOM 379 CA PRO A 24 -16.041 -1.027 -13.715 1.00 0.00 C ATOM 380 C PRO A 24 -16.865 0.207 -14.069 1.00 0.00 C ATOM 381 O PRO A 24 -17.425 0.297 -15.162 1.00 0.00 O ATOM 382 CB PRO A 24 -16.941 -2.129 -13.141 1.00 0.00 C ATOM 383 CG PRO A 24 -16.733 -2.078 -11.670 1.00 0.00 C ATOM 384 CD PRO A 24 -15.314 -1.643 -11.480 1.00 0.00 C ATOM 0 HA PRO A 24 -15.542 -1.312 -14.641 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.986 -1.956 -13.397 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.672 -3.106 -13.543 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.424 -1.378 -11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.909 -3.053 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.176 -1.113 -10.537 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.629 -2.491 -11.472 1.00 0.00 H new ATOM 392 N GLU A 25 -16.935 1.156 -13.141 1.00 0.00 N ATOM 393 CA GLU A 25 -17.690 2.384 -13.359 1.00 0.00 C ATOM 394 C GLU A 25 -16.757 3.549 -13.674 1.00 0.00 C ATOM 395 O GLU A 25 -16.862 4.173 -14.730 1.00 0.00 O ATOM 396 CB GLU A 25 -18.538 2.713 -12.129 1.00 0.00 C ATOM 397 CG GLU A 25 -19.467 3.899 -12.332 1.00 0.00 C ATOM 398 CD GLU A 25 -20.868 3.481 -12.732 1.00 0.00 C ATOM 399 OE1 GLU A 25 -21.034 2.337 -13.204 1.00 0.00 O ATOM 400 OE2 GLU A 25 -21.799 4.298 -12.573 1.00 0.00 O ATOM 0 H GLU A 25 -16.478 1.098 -12.231 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.348 2.228 -14.214 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.131 1.838 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.877 2.919 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.514 4.480 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.054 4.552 -13.100 1.00 0.00 H new ATOM 407 N GLY A 26 -15.845 3.837 -12.751 1.00 0.00 N ATOM 408 CA GLY A 26 -14.907 4.927 -12.950 1.00 0.00 C ATOM 409 C GLY A 26 -13.621 4.737 -12.170 1.00 0.00 C ATOM 410 O GLY A 26 -13.649 4.473 -10.968 1.00 0.00 O ATOM 0 H GLY A 26 -15.739 3.335 -11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.675 5.013 -14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.375 5.864 -12.649 1.00 0.00 H new ATOM 414 N SER A 27 -12.490 4.873 -12.855 1.00 0.00 N ATOM 415 CA SER A 27 -11.187 4.714 -12.219 1.00 0.00 C ATOM 416 C SER A 27 -10.902 5.871 -11.267 1.00 0.00 C ATOM 417 O SER A 27 -11.494 6.944 -11.383 1.00 0.00 O ATOM 418 CB SER A 27 -10.085 4.627 -13.277 1.00 0.00 C ATOM 419 OG SER A 27 -10.084 5.775 -14.108 1.00 0.00 O ATOM 0 H SER A 27 -12.450 5.093 -13.850 1.00 0.00 H new ATOM 0 HA SER A 27 -11.203 3.788 -11.644 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.115 4.526 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.230 3.734 -13.885 1.00 0.00 H new ATOM 0 HG SER A 27 -9.370 5.696 -14.774 1.00 0.00 H new ATOM 425 N VAL A 28 -9.991 5.645 -10.326 1.00 0.00 N ATOM 426 CA VAL A 28 -9.626 6.668 -9.353 1.00 0.00 C ATOM 427 C VAL A 28 -8.178 7.111 -9.537 1.00 0.00 C ATOM 428 O VAL A 28 -7.283 6.284 -9.707 1.00 0.00 O ATOM 429 CB VAL A 28 -9.818 6.166 -7.910 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.619 7.301 -6.918 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.193 5.537 -7.742 1.00 0.00 C ATOM 0 H VAL A 28 -9.492 4.762 -10.217 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.288 7.517 -9.525 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.067 5.402 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.759 6.927 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.611 7.702 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.345 8.090 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.311 5.188 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.961 6.278 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.293 4.694 -8.426 1.00 0.00 H new ATOM 441 N HIS A 29 -7.956 8.421 -9.499 1.00 0.00 N ATOM 442 CA HIS A 29 -6.616 8.975 -9.660 1.00 0.00 C ATOM 443 C HIS A 29 -6.113 9.569 -8.347 1.00 0.00 C ATOM 444 O HIS A 29 -6.901 9.899 -7.462 1.00 0.00 O ATOM 445 CB HIS A 29 -6.612 10.046 -10.753 1.00 0.00 C ATOM 446 CG HIS A 29 -6.240 9.520 -12.104 1.00 0.00 C ATOM 447 ND1 HIS A 29 -5.067 9.858 -12.747 1.00 0.00 N ATOM 448 CD2 HIS A 29 -6.892 8.674 -12.937 1.00 0.00 C ATOM 449 CE1 HIS A 29 -5.016 9.245 -13.916 1.00 0.00 C ATOM 450 NE2 HIS A 29 -6.110 8.520 -14.055 1.00 0.00 N ATOM 0 H HIS A 29 -8.687 9.119 -9.358 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.947 8.166 -9.952 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.601 10.500 -10.809 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.914 10.835 -10.474 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.849 8.207 -12.756 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.215 9.324 -14.636 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.338 7.939 -14.862 1.00 0.00 H new ATOM 459 N LEU A 30 -4.795 9.700 -8.229 1.00 0.00 N ATOM 460 CA LEU A 30 -4.189 10.253 -7.023 1.00 0.00 C ATOM 461 C LEU A 30 -2.700 10.522 -7.235 1.00 0.00 C ATOM 462 O LEU A 30 -2.122 10.114 -8.242 1.00 0.00 O ATOM 463 CB LEU A 30 -4.393 9.298 -5.842 1.00 0.00 C ATOM 464 CG LEU A 30 -3.397 8.140 -5.757 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.754 7.206 -4.612 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.351 7.379 -7.073 1.00 0.00 C ATOM 0 H LEU A 30 -4.128 9.431 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.678 11.201 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.336 9.873 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.400 8.885 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.407 8.554 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.033 6.390 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.733 7.758 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.753 6.800 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.637 6.559 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.340 6.979 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.043 8.053 -7.872 1.00 0.00 H new ATOM 478 N THR A 31 -2.086 11.212 -6.278 1.00 0.00 N ATOM 479 CA THR A 31 -0.665 11.536 -6.359 1.00 0.00 C ATOM 480 C THR A 31 0.192 10.323 -5.999 1.00 0.00 C ATOM 481 O THR A 31 -0.174 9.532 -5.130 1.00 0.00 O ATOM 482 CB THR A 31 -0.334 12.706 -5.429 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.510 13.411 -5.072 1.00 0.00 O ATOM 484 CG2 THR A 31 0.630 13.701 -6.036 1.00 0.00 C ATOM 0 H THR A 31 -2.550 11.557 -5.438 1.00 0.00 H new ATOM 0 HA THR A 31 -0.440 11.823 -7.386 1.00 0.00 H new ATOM 0 HB THR A 31 0.138 12.255 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.602 13.421 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.821 14.504 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.567 13.199 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.198 14.118 -6.945 1.00 0.00 H new ATOM 492 N PRO A 32 1.346 10.157 -6.670 1.00 0.00 N ATOM 493 CA PRO A 32 2.249 9.031 -6.418 1.00 0.00 C ATOM 494 C PRO A 32 3.025 9.171 -5.113 1.00 0.00 C ATOM 495 O PRO A 32 3.630 8.209 -4.638 1.00 0.00 O ATOM 496 CB PRO A 32 3.199 9.070 -7.614 1.00 0.00 C ATOM 497 CG PRO A 32 3.230 10.502 -8.022 1.00 0.00 C ATOM 498 CD PRO A 32 1.858 11.049 -7.729 1.00 0.00 C ATOM 0 HA PRO A 32 1.704 8.093 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.193 8.713 -7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.842 8.434 -8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.994 11.048 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.471 10.601 -9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.903 12.085 -7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.221 11.028 -8.613 1.00 0.00 H new ATOM 506 N SER A 33 3.005 10.365 -4.532 1.00 0.00 N ATOM 507 CA SER A 33 3.710 10.606 -3.280 1.00 0.00 C ATOM 508 C SER A 33 2.926 10.045 -2.109 1.00 0.00 C ATOM 509 O SER A 33 3.495 9.464 -1.184 1.00 0.00 O ATOM 510 CB SER A 33 3.965 12.102 -3.080 1.00 0.00 C ATOM 511 OG SER A 33 2.795 12.763 -2.631 1.00 0.00 O ATOM 0 H SER A 33 2.512 11.176 -4.905 1.00 0.00 H new ATOM 0 HA SER A 33 4.672 10.096 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.767 12.244 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.300 12.546 -4.018 1.00 0.00 H new ATOM 0 HG SER A 33 2.984 13.717 -2.509 1.00 0.00 H new ATOM 517 N GLU A 34 1.617 10.200 -2.168 1.00 0.00 N ATOM 518 CA GLU A 34 0.746 9.684 -1.123 1.00 0.00 C ATOM 519 C GLU A 34 0.430 8.235 -1.414 1.00 0.00 C ATOM 520 O GLU A 34 0.389 7.398 -0.515 1.00 0.00 O ATOM 521 CB GLU A 34 -0.542 10.507 -1.020 1.00 0.00 C ATOM 522 CG GLU A 34 -0.339 12.001 -1.219 1.00 0.00 C ATOM 523 CD GLU A 34 -1.614 12.713 -1.623 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.063 12.519 -2.773 1.00 0.00 O ATOM 525 OE2 GLU A 34 -2.165 13.464 -0.791 1.00 0.00 O ATOM 0 H GLU A 34 1.131 10.678 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 34 1.259 9.760 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.253 10.145 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.991 10.339 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.040 12.439 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.421 12.162 -1.984 1.00 0.00 H new ATOM 532 N SER A 35 0.255 7.939 -2.687 1.00 0.00 N ATOM 533 CA SER A 35 -0.002 6.581 -3.108 1.00 0.00 C ATOM 534 C SER A 35 1.310 5.803 -3.088 1.00 0.00 C ATOM 535 O SER A 35 1.318 4.573 -3.120 1.00 0.00 O ATOM 536 CB SER A 35 -0.629 6.559 -4.502 1.00 0.00 C ATOM 537 OG SER A 35 0.357 6.432 -5.509 1.00 0.00 O ATOM 0 H SER A 35 0.286 8.621 -3.445 1.00 0.00 H new ATOM 0 HA SER A 35 -0.709 6.113 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.333 5.730 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.198 7.475 -4.661 1.00 0.00 H new ATOM 0 HG SER A 35 0.085 6.944 -6.299 1.00 0.00 H new ATOM 543 N GLY A 36 2.424 6.541 -3.013 1.00 0.00 N ATOM 544 CA GLY A 36 3.723 5.912 -2.965 1.00 0.00 C ATOM 545 C GLY A 36 3.964 5.239 -1.636 1.00 0.00 C ATOM 546 O GLY A 36 4.636 4.210 -1.565 1.00 0.00 O ATOM 0 H GLY A 36 2.440 7.560 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.802 5.177 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.497 6.659 -3.141 1.00 0.00 H new ATOM 550 N ILE A 37 3.401 5.813 -0.579 1.00 0.00 N ATOM 551 CA ILE A 37 3.552 5.241 0.754 1.00 0.00 C ATOM 552 C ILE A 37 2.720 3.975 0.879 1.00 0.00 C ATOM 553 O ILE A 37 3.094 3.040 1.587 1.00 0.00 O ATOM 554 CB ILE A 37 3.165 6.243 1.866 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.420 5.640 3.255 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.715 6.684 1.723 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.380 4.629 3.698 1.00 0.00 C ATOM 0 H ILE A 37 2.841 6.665 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 37 4.606 4.998 0.886 1.00 0.00 H new ATOM 0 HB ILE A 37 3.795 7.126 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.399 5.161 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.460 6.447 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.469 7.388 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.575 7.165 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.062 5.814 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.636 4.253 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.401 5.106 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.354 3.800 2.991 1.00 0.00 H new ATOM 569 N LEU A 38 1.608 3.941 0.162 1.00 0.00 N ATOM 570 CA LEU A 38 0.740 2.774 0.166 1.00 0.00 C ATOM 571 C LEU A 38 1.331 1.696 -0.738 1.00 0.00 C ATOM 572 O LEU A 38 1.020 0.512 -0.603 1.00 0.00 O ATOM 573 CB LEU A 38 -0.678 3.151 -0.290 1.00 0.00 C ATOM 574 CG LEU A 38 -0.993 2.891 -1.767 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.440 1.450 -1.972 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.057 3.859 -2.265 1.00 0.00 C ATOM 0 H LEU A 38 1.285 4.707 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 38 0.670 2.385 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.394 2.598 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.836 4.210 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.084 3.054 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.659 1.284 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.646 0.774 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.336 1.259 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.268 3.659 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.968 3.730 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.698 4.882 -2.155 1.00 0.00 H new ATOM 588 N LYS A 39 2.197 2.124 -1.655 1.00 0.00 N ATOM 589 CA LYS A 39 2.849 1.213 -2.581 1.00 0.00 C ATOM 590 C LYS A 39 3.861 0.347 -1.851 1.00 0.00 C ATOM 591 O LYS A 39 4.018 -0.834 -2.158 1.00 0.00 O ATOM 592 CB LYS A 39 3.535 1.994 -3.704 1.00 0.00 C ATOM 593 CG LYS A 39 4.265 1.110 -4.703 1.00 0.00 C ATOM 594 CD LYS A 39 5.763 1.095 -4.444 1.00 0.00 C ATOM 595 CE LYS A 39 6.553 1.061 -5.742 1.00 0.00 C ATOM 596 NZ LYS A 39 7.053 -0.307 -6.053 1.00 0.00 N ATOM 0 H LYS A 39 2.461 3.102 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 39 2.089 0.566 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.788 2.585 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.245 2.696 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.875 0.094 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.073 1.467 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.043 1.978 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.020 0.226 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.923 1.412 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.396 1.748 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.586 -0.287 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.675 -0.632 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.248 -0.958 -6.146 1.00 0.00 H new ATOM 610 N ARG A 40 4.539 0.939 -0.877 1.00 0.00 N ATOM 611 CA ARG A 40 5.532 0.207 -0.098 1.00 0.00 C ATOM 612 C ARG A 40 4.852 -0.808 0.806 1.00 0.00 C ATOM 613 O ARG A 40 5.385 -1.887 1.063 1.00 0.00 O ATOM 614 CB ARG A 40 6.393 1.167 0.725 1.00 0.00 C ATOM 615 CG ARG A 40 7.885 0.897 0.600 1.00 0.00 C ATOM 616 CD ARG A 40 8.665 2.172 0.317 1.00 0.00 C ATOM 617 NE ARG A 40 9.185 2.206 -1.048 1.00 0.00 N ATOM 618 CZ ARG A 40 10.174 3.004 -1.443 1.00 0.00 C ATOM 619 NH1 ARG A 40 10.750 3.835 -0.582 1.00 0.00 N ATOM 620 NH2 ARG A 40 10.587 2.973 -2.703 1.00 0.00 N ATOM 0 H ARG A 40 4.422 1.916 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 40 6.185 -0.326 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.188 2.190 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.105 1.094 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.251 0.443 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.059 0.178 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.020 3.035 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.492 2.255 1.022 1.00 0.00 H new ATOM 0 HE ARG A 40 8.766 1.582 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.435 3.864 0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.508 4.444 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.147 2.338 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.345 3.584 -3.006 1.00 0.00 H new ATOM 634 N LEU A 41 3.658 -0.463 1.262 1.00 0.00 N ATOM 635 CA LEU A 41 2.881 -1.351 2.114 1.00 0.00 C ATOM 636 C LEU A 41 2.244 -2.448 1.272 1.00 0.00 C ATOM 637 O LEU A 41 1.926 -3.528 1.769 1.00 0.00 O ATOM 638 CB LEU A 41 1.806 -0.568 2.871 1.00 0.00 C ATOM 639 CG LEU A 41 2.242 -0.011 4.228 1.00 0.00 C ATOM 640 CD1 LEU A 41 2.423 -1.137 5.233 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.528 0.791 4.087 1.00 0.00 C ATOM 0 H LEU A 41 3.205 0.427 1.056 1.00 0.00 H new ATOM 0 HA LEU A 41 3.548 -1.807 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.474 0.261 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.944 -1.218 3.023 1.00 0.00 H new ATOM 0 HG LEU A 41 1.460 0.654 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.733 -0.722 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.480 -1.670 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.186 -1.827 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.823 1.180 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.317 0.147 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.366 1.621 3.400 1.00 0.00 H new ATOM 653 N LEU A 42 2.080 -2.163 -0.016 1.00 0.00 N ATOM 654 CA LEU A 42 1.505 -3.122 -0.945 1.00 0.00 C ATOM 655 C LEU A 42 2.503 -4.239 -1.232 1.00 0.00 C ATOM 656 O LEU A 42 2.120 -5.349 -1.599 1.00 0.00 O ATOM 657 CB LEU A 42 1.100 -2.422 -2.246 1.00 0.00 C ATOM 658 CG LEU A 42 -0.346 -2.657 -2.694 1.00 0.00 C ATOM 659 CD1 LEU A 42 -0.517 -4.069 -3.232 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.313 -2.399 -1.546 1.00 0.00 C ATOM 0 H LEU A 42 2.339 -1.272 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 42 0.614 -3.558 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.256 -1.350 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.768 -2.754 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.574 -1.955 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.551 -4.216 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.145 -4.216 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.268 -4.788 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.334 -2.571 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.086 -3.073 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.212 -1.367 -1.210 1.00 0.00 H new ATOM 672 N ILE A 43 3.786 -3.936 -1.052 1.00 0.00 N ATOM 673 CA ILE A 43 4.839 -4.915 -1.281 1.00 0.00 C ATOM 674 C ILE A 43 4.798 -6.015 -0.226 1.00 0.00 C ATOM 675 O ILE A 43 5.205 -7.148 -0.482 1.00 0.00 O ATOM 676 CB ILE A 43 6.236 -4.265 -1.266 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.250 -3.000 -2.127 1.00 0.00 C ATOM 678 CG2 ILE A 43 7.283 -5.254 -1.753 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.759 -3.223 -3.541 1.00 0.00 C ATOM 0 H ILE A 43 4.119 -3.021 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 43 4.659 -5.343 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 43 6.476 -3.983 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.630 -2.240 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.266 -2.606 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.265 -4.781 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.290 -6.127 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.046 -5.563 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.797 -2.283 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.394 -3.959 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.732 -3.588 -3.516 1.00 0.00 H new ATOM 691 N ASN A 44 4.302 -5.676 0.961 1.00 0.00 N ATOM 692 CA ASN A 44 4.210 -6.644 2.050 1.00 0.00 C ATOM 693 C ASN A 44 2.783 -7.147 2.212 1.00 0.00 C ATOM 694 O ASN A 44 2.553 -8.327 2.480 1.00 0.00 O ATOM 695 CB ASN A 44 4.709 -6.036 3.366 1.00 0.00 C ATOM 696 CG ASN A 44 4.371 -4.563 3.502 1.00 0.00 C ATOM 697 OD1 ASN A 44 3.227 -4.199 3.778 1.00 0.00 O ATOM 698 ND2 ASN A 44 5.368 -3.707 3.308 1.00 0.00 N ATOM 0 H ASN A 44 3.959 -4.744 1.193 1.00 0.00 H new ATOM 0 HA ASN A 44 4.848 -7.491 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.272 -6.582 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.790 -6.163 3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.201 -2.704 3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.300 -4.053 3.081 1.00 0.00 H new ATOM 705 N LYS A 45 1.830 -6.244 2.045 1.00 0.00 N ATOM 706 CA LYS A 45 0.416 -6.583 2.166 1.00 0.00 C ATOM 707 C LYS A 45 0.132 -7.282 3.492 1.00 0.00 C ATOM 708 O LYS A 45 0.182 -8.509 3.582 1.00 0.00 O ATOM 709 CB LYS A 45 -0.018 -7.478 1.004 1.00 0.00 C ATOM 710 CG LYS A 45 -0.229 -6.725 -0.300 1.00 0.00 C ATOM 711 CD LYS A 45 0.168 -7.570 -1.500 1.00 0.00 C ATOM 712 CE LYS A 45 -0.696 -7.263 -2.713 1.00 0.00 C ATOM 713 NZ LYS A 45 -1.296 -8.496 -3.294 1.00 0.00 N ATOM 0 H LYS A 45 2.009 -5.264 1.824 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.155 -5.655 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.736 -8.250 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.944 -7.986 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.276 -6.434 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.357 -5.806 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.215 -7.388 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.078 -8.626 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.490 -6.573 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.094 -6.761 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.877 -8.244 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.539 -9.145 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.892 -8.962 -2.580 1.00 0.00 H new ATOM 727 N GLY A 46 -0.166 -6.493 4.518 1.00 0.00 N ATOM 728 CA GLY A 46 -0.454 -7.054 5.825 1.00 0.00 C ATOM 729 C GLY A 46 0.779 -7.611 6.508 1.00 0.00 C ATOM 730 O GLY A 46 1.030 -8.816 6.470 1.00 0.00 O ATOM 0 H GLY A 46 -0.213 -5.475 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.897 -6.284 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.195 -7.846 5.720 1.00 0.00 H new ATOM 734 N GLN A 47 1.546 -6.729 7.140 1.00 0.00 N ATOM 735 CA GLN A 47 2.757 -7.128 7.845 1.00 0.00 C ATOM 736 C GLN A 47 2.988 -6.231 9.054 1.00 0.00 C ATOM 737 O GLN A 47 2.612 -5.059 9.048 1.00 0.00 O ATOM 738 CB GLN A 47 3.966 -7.068 6.908 1.00 0.00 C ATOM 739 CG GLN A 47 5.109 -7.976 7.331 1.00 0.00 C ATOM 740 CD GLN A 47 6.228 -7.222 8.021 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.797 -6.283 7.464 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.551 -7.631 9.243 1.00 0.00 N ATOM 0 H GLN A 47 1.349 -5.729 7.178 1.00 0.00 H new ATOM 0 HA GLN A 47 2.631 -8.155 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.649 -7.342 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.328 -6.041 6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.727 -8.746 8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.507 -8.486 6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.053 -8.414 9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.297 -7.162 9.757 1.00 0.00 H new ATOM 751 N LEU A 48 3.602 -6.784 10.093 1.00 0.00 N ATOM 752 CA LEU A 48 3.872 -6.024 11.307 1.00 0.00 C ATOM 753 C LEU A 48 4.945 -4.968 11.065 1.00 0.00 C ATOM 754 O LEU A 48 6.064 -5.075 11.567 1.00 0.00 O ATOM 755 CB LEU A 48 4.299 -6.958 12.442 1.00 0.00 C ATOM 756 CG LEU A 48 3.814 -6.539 13.833 1.00 0.00 C ATOM 757 CD1 LEU A 48 2.634 -7.393 14.270 1.00 0.00 C ATOM 758 CD2 LEU A 48 4.944 -6.631 14.848 1.00 0.00 C ATOM 0 H LEU A 48 3.921 -7.752 10.119 1.00 0.00 H new ATOM 0 HA LEU A 48 2.951 -5.517 11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.927 -7.960 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.387 -7.018 12.455 1.00 0.00 H new ATOM 0 HG LEU A 48 3.486 -5.501 13.780 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.305 -7.079 15.261 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.815 -7.273 13.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.935 -8.440 14.303 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.577 -6.329 15.829 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.307 -7.658 14.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.758 -5.972 14.546 1.00 0.00 H new ATOM 770 N CYS A 49 4.592 -3.943 10.296 1.00 0.00 N ATOM 771 CA CYS A 49 5.520 -2.861 9.991 1.00 0.00 C ATOM 772 C CYS A 49 5.744 -1.990 11.222 1.00 0.00 C ATOM 773 O CYS A 49 5.047 -2.131 12.226 1.00 0.00 O ATOM 774 CB CYS A 49 4.986 -2.010 8.837 1.00 0.00 C ATOM 775 SG CYS A 49 5.633 -2.478 7.214 1.00 0.00 S ATOM 0 H CYS A 49 3.670 -3.839 9.873 1.00 0.00 H new ATOM 0 HA CYS A 49 6.473 -3.299 9.693 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.899 -2.084 8.818 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.231 -0.965 9.027 1.00 0.00 H new ATOM 0 HG CYS A 49 5.122 -1.704 6.303 1.00 0.00 H new ATOM 781 N LEU A 50 6.719 -1.092 11.141 1.00 0.00 N ATOM 782 CA LEU A 50 7.027 -0.204 12.255 1.00 0.00 C ATOM 783 C LEU A 50 6.862 1.257 11.851 1.00 0.00 C ATOM 784 O LEU A 50 7.000 1.608 10.679 1.00 0.00 O ATOM 785 CB LEU A 50 8.450 -0.455 12.757 1.00 0.00 C ATOM 786 CG LEU A 50 8.654 -1.794 13.467 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.640 -1.963 14.587 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.548 -2.942 12.474 1.00 0.00 C ATOM 0 H LEU A 50 7.308 -0.960 10.319 1.00 0.00 H new ATOM 0 HA LEU A 50 6.325 -0.417 13.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.134 -0.401 11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.726 0.348 13.440 1.00 0.00 H new ATOM 0 HG LEU A 50 9.653 -1.805 13.903 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.800 -2.921 15.081 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.760 -1.157 15.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.632 -1.932 14.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.695 -3.888 12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.561 -2.933 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.311 -2.829 11.704 1.00 0.00 H new ATOM 800 N ARG A 51 6.560 2.104 12.830 1.00 0.00 N ATOM 801 CA ARG A 51 6.369 3.529 12.582 1.00 0.00 C ATOM 802 C ARG A 51 7.582 4.137 11.897 1.00 0.00 C ATOM 803 O ARG A 51 7.525 4.503 10.726 1.00 0.00 O ATOM 804 CB ARG A 51 6.086 4.263 13.894 1.00 0.00 C ATOM 805 CG ARG A 51 5.860 5.757 13.722 1.00 0.00 C ATOM 806 CD ARG A 51 5.760 6.463 15.064 1.00 0.00 C ATOM 807 NE ARG A 51 5.760 7.918 14.919 1.00 0.00 N ATOM 808 CZ ARG A 51 6.847 8.636 14.647 1.00 0.00 C ATOM 809 NH1 ARG A 51 8.023 8.040 14.493 1.00 0.00 N ATOM 810 NH2 ARG A 51 6.759 9.954 14.529 1.00 0.00 N ATOM 0 H ARG A 51 6.442 1.827 13.805 1.00 0.00 H new ATOM 0 HA ARG A 51 5.512 3.641 11.918 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.206 3.823 14.364 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.923 4.107 14.575 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.679 6.186 13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.946 5.925 13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.848 6.149 15.572 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.596 6.162 15.695 1.00 0.00 H new ATOM 0 HE ARG A 51 4.875 8.412 15.033 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.097 7.027 14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.853 8.595 14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.858 10.418 14.647 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.592 10.504 14.321 1.00 0.00 H new ATOM 824 N LYS A 52 8.672 4.235 12.641 1.00 0.00 N ATOM 825 CA LYS A 52 9.925 4.803 12.123 1.00 0.00 C ATOM 826 C LYS A 52 10.313 4.169 10.793 1.00 0.00 C ATOM 827 O LYS A 52 11.074 4.744 10.018 1.00 0.00 O ATOM 828 CB LYS A 52 11.084 4.632 13.119 1.00 0.00 C ATOM 829 CG LYS A 52 10.659 4.325 14.547 1.00 0.00 C ATOM 830 CD LYS A 52 10.424 2.837 14.752 1.00 0.00 C ATOM 831 CE LYS A 52 9.436 2.580 15.879 1.00 0.00 C ATOM 832 NZ LYS A 52 10.125 2.297 17.168 1.00 0.00 N ATOM 0 H LYS A 52 8.723 3.929 13.613 1.00 0.00 H new ATOM 0 HA LYS A 52 9.743 5.867 11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.731 3.829 12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.680 5.544 13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.427 4.672 15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.747 4.874 14.782 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.048 2.396 13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.371 2.345 14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.787 3.447 15.997 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.797 1.737 15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.417 2.127 17.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.725 1.454 17.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.715 3.112 17.432 1.00 0.00 H new ATOM 846 N HIS A 53 9.793 2.983 10.533 1.00 0.00 N ATOM 847 CA HIS A 53 10.091 2.291 9.289 1.00 0.00 C ATOM 848 C HIS A 53 9.193 2.793 8.164 1.00 0.00 C ATOM 849 O HIS A 53 9.482 2.577 6.988 1.00 0.00 O ATOM 850 CB HIS A 53 9.927 0.781 9.463 1.00 0.00 C ATOM 851 CG HIS A 53 11.181 0.089 9.902 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.771 -0.929 9.183 1.00 0.00 N ATOM 853 CD2 HIS A 53 11.959 0.274 10.996 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.856 -1.340 9.815 1.00 0.00 C ATOM 855 NE2 HIS A 53 12.993 -0.626 10.917 1.00 0.00 N ATOM 0 H HIS A 53 9.166 2.480 11.161 1.00 0.00 H new ATOM 0 HA HIS A 53 11.127 2.501 9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.142 0.591 10.195 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.595 0.349 8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.796 0.995 11.783 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.519 -2.127 9.486 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.745 -0.727 11.599 1.00 0.00 H new ATOM 864 N LEU A 54 8.105 3.468 8.527 1.00 0.00 N ATOM 865 CA LEU A 54 7.179 3.998 7.538 1.00 0.00 C ATOM 866 C LEU A 54 7.612 5.373 7.064 1.00 0.00 C ATOM 867 O LEU A 54 7.549 5.673 5.871 1.00 0.00 O ATOM 868 CB LEU A 54 5.756 4.045 8.098 1.00 0.00 C ATOM 869 CG LEU A 54 4.717 3.275 7.277 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.254 2.033 8.025 1.00 0.00 C ATOM 871 CD2 LEU A 54 3.535 4.169 6.937 1.00 0.00 C ATOM 0 H LEU A 54 7.846 3.659 9.495 1.00 0.00 H new ATOM 0 HA LEU A 54 7.189 3.327 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.766 3.645 9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.443 5.087 8.169 1.00 0.00 H new ATOM 0 HG LEU A 54 5.185 2.957 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.516 1.501 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.108 1.382 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.806 2.326 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.808 3.604 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.068 4.520 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.881 5.024 6.356 1.00 0.00 H new ATOM 883 N LEU A 55 8.076 6.202 7.987 1.00 0.00 N ATOM 884 CA LEU A 55 8.541 7.530 7.612 1.00 0.00 C ATOM 885 C LEU A 55 9.956 7.446 7.053 1.00 0.00 C ATOM 886 O LEU A 55 10.466 8.410 6.486 1.00 0.00 O ATOM 887 CB LEU A 55 8.463 8.537 8.777 1.00 0.00 C ATOM 888 CG LEU A 55 9.058 8.106 10.120 1.00 0.00 C ATOM 889 CD1 LEU A 55 8.051 7.299 10.918 1.00 0.00 C ATOM 890 CD2 LEU A 55 10.342 7.322 9.919 1.00 0.00 C ATOM 0 H LEU A 55 8.141 5.986 8.982 1.00 0.00 H new ATOM 0 HA LEU A 55 7.872 7.906 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.964 9.453 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.414 8.786 8.937 1.00 0.00 H new ATOM 0 HG LEU A 55 9.300 9.005 10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.494 7.003 11.869 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.164 7.905 11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.770 6.409 10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.744 7.028 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.135 6.431 9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.070 7.944 9.398 1.00 0.00 H new ATOM 902 N GLU A 56 10.579 6.273 7.194 1.00 0.00 N ATOM 903 CA GLU A 56 11.919 6.059 6.677 1.00 0.00 C ATOM 904 C GLU A 56 11.854 5.611 5.221 1.00 0.00 C ATOM 905 O GLU A 56 12.839 5.705 4.489 1.00 0.00 O ATOM 906 CB GLU A 56 12.658 5.013 7.517 1.00 0.00 C ATOM 907 CG GLU A 56 13.532 5.614 8.606 1.00 0.00 C ATOM 908 CD GLU A 56 15.007 5.337 8.390 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.444 4.200 8.665 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.726 6.258 7.947 1.00 0.00 O ATOM 0 H GLU A 56 10.172 5.463 7.662 1.00 0.00 H new ATOM 0 HA GLU A 56 12.467 7.000 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.928 4.346 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.278 4.404 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.370 6.691 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.229 5.213 9.573 1.00 0.00 H new ATOM 917 N GLU A 57 10.683 5.128 4.802 1.00 0.00 N ATOM 918 CA GLU A 57 10.499 4.676 3.428 1.00 0.00 C ATOM 919 C GLU A 57 10.224 5.849 2.510 1.00 0.00 C ATOM 920 O GLU A 57 10.833 5.978 1.449 1.00 0.00 O ATOM 921 CB GLU A 57 9.358 3.659 3.339 1.00 0.00 C ATOM 922 CG GLU A 57 9.745 2.257 3.784 1.00 0.00 C ATOM 923 CD GLU A 57 11.029 1.769 3.143 1.00 0.00 C ATOM 924 OE1 GLU A 57 12.117 2.158 3.619 1.00 0.00 O ATOM 925 OE2 GLU A 57 10.948 0.995 2.165 1.00 0.00 O ATOM 0 H GLU A 57 9.855 5.041 5.392 1.00 0.00 H new ATOM 0 HA GLU A 57 11.422 4.192 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.526 4.007 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.001 3.617 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.858 2.243 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.937 1.567 3.539 1.00 0.00 H new ATOM 932 N ILE A 58 9.325 6.714 2.935 1.00 0.00 N ATOM 933 CA ILE A 58 8.999 7.895 2.151 1.00 0.00 C ATOM 934 C ILE A 58 10.122 8.916 2.279 1.00 0.00 C ATOM 935 O ILE A 58 10.244 9.826 1.462 1.00 0.00 O ATOM 936 CB ILE A 58 7.651 8.547 2.549 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.886 7.680 3.555 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.804 8.783 1.305 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.472 8.153 3.810 1.00 0.00 C ATOM 0 H ILE A 58 8.809 6.626 3.811 1.00 0.00 H new ATOM 0 HA ILE A 58 8.892 7.567 1.117 1.00 0.00 H new ATOM 0 HB ILE A 58 7.864 9.503 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.856 6.654 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.431 7.666 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.857 9.242 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.337 9.445 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.611 7.831 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.992 7.492 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.494 9.168 4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.910 8.140 2.876 1.00 0.00 H new ATOM 951 N LYS A 59 10.961 8.739 3.300 1.00 0.00 N ATOM 952 CA LYS A 59 12.094 9.623 3.517 1.00 0.00 C ATOM 953 C LYS A 59 13.163 9.339 2.472 1.00 0.00 C ATOM 954 O LYS A 59 13.802 10.256 1.956 1.00 0.00 O ATOM 955 CB LYS A 59 12.662 9.435 4.927 1.00 0.00 C ATOM 956 CG LYS A 59 13.940 10.219 5.189 1.00 0.00 C ATOM 957 CD LYS A 59 14.799 9.545 6.248 1.00 0.00 C ATOM 958 CE LYS A 59 14.698 10.256 7.588 1.00 0.00 C ATOM 959 NZ LYS A 59 16.010 10.812 8.022 1.00 0.00 N ATOM 0 H LYS A 59 10.873 7.990 3.987 1.00 0.00 H new ATOM 0 HA LYS A 59 11.763 10.657 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.908 9.736 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.858 8.375 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.508 10.312 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.689 11.229 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.488 8.507 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.838 9.532 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.968 11.062 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.332 9.559 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.899 11.289 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.701 10.040 8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.348 11.496 7.315 1.00 0.00 H new ATOM 973 N ASN A 60 13.340 8.058 2.149 1.00 0.00 N ATOM 974 CA ASN A 60 14.316 7.658 1.148 1.00 0.00 C ATOM 975 C ASN A 60 13.874 8.133 -0.232 1.00 0.00 C ATOM 976 O ASN A 60 14.697 8.375 -1.115 1.00 0.00 O ATOM 977 CB ASN A 60 14.492 6.138 1.152 1.00 0.00 C ATOM 978 CG ASN A 60 15.950 5.724 1.132 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.828 6.485 1.537 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.215 4.512 0.658 1.00 0.00 N ATOM 0 H ASN A 60 12.820 7.286 2.567 1.00 0.00 H new ATOM 0 HA ASN A 60 15.274 8.119 1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.011 5.722 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.985 5.714 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.178 4.179 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.455 3.914 0.333 1.00 0.00 H new ATOM 987 N HIS A 61 12.561 8.266 -0.404 1.00 0.00 N ATOM 988 CA HIS A 61 11.985 8.711 -1.659 1.00 0.00 C ATOM 989 C HIS A 61 11.765 10.222 -1.652 1.00 0.00 C ATOM 990 O HIS A 61 12.449 10.965 -2.356 1.00 0.00 O ATOM 991 CB HIS A 61 10.660 7.989 -1.910 1.00 0.00 C ATOM 992 CG HIS A 61 10.028 8.337 -3.222 1.00 0.00 C ATOM 993 ND1 HIS A 61 10.716 8.325 -4.417 1.00 0.00 N ATOM 994 CD2 HIS A 61 8.761 8.710 -3.524 1.00 0.00 C ATOM 995 CE1 HIS A 61 9.902 8.676 -5.396 1.00 0.00 C ATOM 996 NE2 HIS A 61 8.710 8.914 -4.881 1.00 0.00 N ATOM 0 H HIS A 61 11.873 8.068 0.323 1.00 0.00 H new ATOM 0 HA HIS A 61 12.683 8.471 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.829 6.913 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.965 8.232 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.944 8.825 -2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.166 8.755 -6.440 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.885 9.203 -5.406 1.00 0.00 H new ATOM 1005 N ALA A 62 10.805 10.668 -0.846 1.00 0.00 N ATOM 1006 CA ALA A 62 10.486 12.087 -0.733 1.00 0.00 C ATOM 1007 C ALA A 62 9.833 12.392 0.613 1.00 0.00 C ATOM 1008 O ALA A 62 8.624 12.230 0.777 1.00 0.00 O ATOM 1009 CB ALA A 62 9.576 12.516 -1.874 1.00 0.00 C ATOM 0 H ALA A 62 10.232 10.062 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 62 11.416 12.652 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.346 13.577 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.077 12.339 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.651 11.940 -1.838 1.00 0.00 H new ATOM 1015 N LYS A 63 10.643 12.826 1.575 1.00 0.00 N ATOM 1016 CA LYS A 63 10.146 13.145 2.911 1.00 0.00 C ATOM 1017 C LYS A 63 9.566 14.555 2.968 1.00 0.00 C ATOM 1018 O LYS A 63 10.209 15.520 2.554 1.00 0.00 O ATOM 1019 CB LYS A 63 11.271 13.010 3.940 1.00 0.00 C ATOM 1020 CG LYS A 63 10.879 12.201 5.166 1.00 0.00 C ATOM 1021 CD LYS A 63 10.255 13.081 6.239 1.00 0.00 C ATOM 1022 CE LYS A 63 10.836 12.787 7.614 1.00 0.00 C ATOM 1023 NZ LYS A 63 11.201 14.035 8.341 1.00 0.00 N ATOM 0 H LYS A 63 11.646 12.965 1.455 1.00 0.00 H new ATOM 0 HA LYS A 63 9.350 12.438 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.132 12.540 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.584 14.005 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.174 11.421 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.759 11.701 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.419 14.130 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.177 12.923 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.111 12.223 8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.719 12.157 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.593 13.792 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.912 14.561 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.354 14.625 8.465 1.00 0.00 H new ATOM 1092 N ARG A 68 4.432 18.282 3.864 1.00 0.00 N ATOM 1093 CA ARG A 68 3.563 17.124 3.685 1.00 0.00 C ATOM 1094 C ARG A 68 4.155 15.885 4.354 1.00 0.00 C ATOM 1095 O ARG A 68 4.342 14.850 3.714 1.00 0.00 O ATOM 1096 CB ARG A 68 3.336 16.862 2.193 1.00 0.00 C ATOM 1097 CG ARG A 68 1.892 16.544 1.844 1.00 0.00 C ATOM 1098 CD ARG A 68 1.767 16.001 0.430 1.00 0.00 C ATOM 1099 NE ARG A 68 1.735 17.069 -0.567 1.00 0.00 N ATOM 1100 CZ ARG A 68 0.716 17.912 -0.717 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -0.353 17.818 0.063 1.00 0.00 N ATOM 1102 NH2 ARG A 68 0.766 18.852 -1.651 1.00 0.00 N ATOM 0 HA ARG A 68 2.606 17.340 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.654 17.737 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.968 16.032 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.498 15.814 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.286 17.444 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.605 15.336 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.859 15.404 0.350 1.00 0.00 H new ATOM 0 HE ARG A 68 2.540 17.175 -1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.397 17.097 0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.131 18.467 -0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.585 18.929 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.015 19.498 -1.766 1.00 0.00 H new ATOM 1116 N ASN A 69 4.450 15.997 5.648 1.00 0.00 N ATOM 1117 CA ASN A 69 5.021 14.884 6.405 1.00 0.00 C ATOM 1118 C ASN A 69 4.252 13.590 6.146 1.00 0.00 C ATOM 1119 O ASN A 69 3.184 13.605 5.533 1.00 0.00 O ATOM 1120 CB ASN A 69 5.020 15.202 7.902 1.00 0.00 C ATOM 1121 CG ASN A 69 3.698 15.773 8.375 1.00 0.00 C ATOM 1122 OD1 ASN A 69 3.167 16.713 7.782 1.00 0.00 O ATOM 1123 ND2 ASN A 69 3.160 15.208 9.450 1.00 0.00 N ATOM 0 H ASN A 69 4.303 16.846 6.194 1.00 0.00 H new ATOM 0 HA ASN A 69 6.049 14.744 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.241 14.294 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.817 15.913 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.272 15.551 9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.635 14.431 9.910 1.00 0.00 H new ATOM 1130 N VAL A 70 4.803 12.472 6.610 1.00 0.00 N ATOM 1131 CA VAL A 70 4.167 11.174 6.418 1.00 0.00 C ATOM 1132 C VAL A 70 2.872 11.062 7.214 1.00 0.00 C ATOM 1133 O VAL A 70 1.983 10.288 6.860 1.00 0.00 O ATOM 1134 CB VAL A 70 5.108 10.016 6.810 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.503 10.109 8.274 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.458 8.674 6.514 1.00 0.00 C ATOM 0 H VAL A 70 5.686 12.439 7.120 1.00 0.00 H new ATOM 0 HA VAL A 70 3.937 11.097 5.355 1.00 0.00 H new ATOM 0 HB VAL A 70 6.014 10.099 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.166 9.281 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.017 11.053 8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.609 10.059 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.137 7.870 6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.533 8.585 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.237 8.604 5.449 1.00 0.00 H new ATOM 1146 N ASP A 71 2.767 11.838 8.284 1.00 0.00 N ATOM 1147 CA ASP A 71 1.572 11.821 9.120 1.00 0.00 C ATOM 1148 C ASP A 71 0.371 12.330 8.346 1.00 0.00 C ATOM 1149 O ASP A 71 -0.618 11.618 8.167 1.00 0.00 O ATOM 1150 CB ASP A 71 1.785 12.662 10.381 1.00 0.00 C ATOM 1151 CG ASP A 71 1.158 12.032 11.609 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.547 10.897 11.958 1.00 0.00 O ATOM 1153 OD2 ASP A 71 0.278 12.673 12.221 1.00 0.00 O ATOM 0 H ASP A 71 3.492 12.486 8.594 1.00 0.00 H new ATOM 0 HA ASP A 71 1.380 10.790 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.854 12.795 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.361 13.654 10.228 1.00 0.00 H new ATOM 1158 N VAL A 72 0.473 13.557 7.873 1.00 0.00 N ATOM 1159 CA VAL A 72 -0.597 14.164 7.093 1.00 0.00 C ATOM 1160 C VAL A 72 -0.893 13.322 5.857 1.00 0.00 C ATOM 1161 O VAL A 72 -1.983 13.392 5.288 1.00 0.00 O ATOM 1162 CB VAL A 72 -0.242 15.599 6.657 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -1.418 16.251 5.948 1.00 0.00 C ATOM 1164 CG2 VAL A 72 0.192 16.428 7.856 1.00 0.00 C ATOM 0 H VAL A 72 1.286 14.157 8.014 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.479 14.207 7.732 1.00 0.00 H new ATOM 0 HB VAL A 72 0.591 15.549 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.147 17.263 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.678 15.669 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.274 16.289 6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.439 17.438 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.619 16.469 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.068 15.971 8.316 1.00 0.00 H new ATOM 1174 N HIS A 73 0.086 12.517 5.457 1.00 0.00 N ATOM 1175 CA HIS A 73 -0.060 11.648 4.302 1.00 0.00 C ATOM 1176 C HIS A 73 -1.034 10.517 4.605 1.00 0.00 C ATOM 1177 O HIS A 73 -1.706 10.006 3.710 1.00 0.00 O ATOM 1178 CB HIS A 73 1.300 11.074 3.898 1.00 0.00 C ATOM 1179 CG HIS A 73 1.959 11.820 2.780 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.268 12.059 2.526 1.00 0.00 N flip ATOM 1181 CD2 HIS A 73 1.257 12.421 1.757 1.00 0.00 C flip ATOM 1182 CE1 HIS A 73 3.330 12.792 1.366 1.00 0.00 C flip ATOM 1183 NE2 HIS A 73 2.104 12.996 0.922 1.00 0.00 N flip ATOM 0 H HIS A 73 0.992 12.451 5.921 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.456 12.237 3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.960 11.080 4.766 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.172 10.033 3.603 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.060 11.752 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.182 12.422 1.654 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.235 13.144 0.894 1.00 0.00 H new ATOM 1192 N ILE A 74 -1.106 10.133 5.873 1.00 0.00 N ATOM 1193 CA ILE A 74 -2.002 9.062 6.291 1.00 0.00 C ATOM 1194 C ILE A 74 -3.456 9.474 6.124 1.00 0.00 C ATOM 1195 O ILE A 74 -4.304 8.665 5.746 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.755 8.649 7.756 1.00 0.00 C ATOM 1197 CG1 ILE A 74 -0.276 8.327 7.976 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.621 7.452 8.124 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.250 7.245 7.057 1.00 0.00 C ATOM 0 H ILE A 74 -0.557 10.545 6.627 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.792 8.206 5.649 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.027 9.483 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.311 9.234 7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.130 8.017 9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.435 7.173 9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.672 7.712 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.377 6.612 7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.305 7.069 7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.311 6.325 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.136 7.561 6.020 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.734 10.737 6.401 1.00 0.00 N ATOM 1212 CA ALA A 75 -5.083 11.263 6.275 1.00 0.00 C ATOM 1213 C ALA A 75 -5.436 11.481 4.816 1.00 0.00 C ATOM 1214 O ALA A 75 -6.577 11.276 4.400 1.00 0.00 O ATOM 1215 CB ALA A 75 -5.232 12.554 7.066 1.00 0.00 C ATOM 0 H ALA A 75 -3.043 11.418 6.715 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.777 10.531 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.249 12.931 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.026 12.361 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.528 13.296 6.688 1.00 0.00 H new ATOM 1221 N SER A 76 -4.442 11.877 4.040 1.00 0.00 N ATOM 1222 CA SER A 76 -4.633 12.101 2.615 1.00 0.00 C ATOM 1223 C SER A 76 -4.766 10.768 1.895 1.00 0.00 C ATOM 1224 O SER A 76 -5.381 10.680 0.832 1.00 0.00 O ATOM 1225 CB SER A 76 -3.467 12.903 2.034 1.00 0.00 C ATOM 1226 OG SER A 76 -2.249 12.187 2.143 1.00 0.00 O ATOM 0 H SER A 76 -3.493 12.051 4.372 1.00 0.00 H new ATOM 0 HA SER A 76 -5.548 12.676 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.665 13.132 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.380 13.855 2.557 1.00 0.00 H new ATOM 0 HG SER A 76 -2.366 11.435 2.760 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.195 9.728 2.494 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.259 8.394 1.926 1.00 0.00 C ATOM 1234 C LEU A 77 -5.686 7.871 1.974 1.00 0.00 C ATOM 1235 O LEU A 77 -6.114 7.112 1.105 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.319 7.448 2.680 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.035 7.074 1.934 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.317 5.996 0.900 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.418 8.301 1.276 1.00 0.00 C ATOM 0 H LEU A 77 -3.683 9.788 3.374 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.940 8.442 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.047 7.911 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.863 6.533 2.916 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.320 6.680 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.394 5.742 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.709 5.109 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.050 6.364 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.507 8.013 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.126 8.728 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.179 9.042 2.039 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.420 8.291 2.995 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.797 7.879 3.165 1.00 0.00 C ATOM 1253 C ARG A 78 -8.642 8.311 1.975 1.00 0.00 C ATOM 1254 O ARG A 78 -9.586 7.624 1.584 1.00 0.00 O ATOM 1255 CB ARG A 78 -8.353 8.475 4.454 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.419 8.333 5.648 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.992 7.400 6.705 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.986 8.009 8.034 1.00 0.00 N ATOM 1259 CZ ARG A 78 -8.445 7.405 9.128 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -8.944 6.177 9.057 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -8.404 8.030 10.296 1.00 0.00 N ATOM 0 H ARG A 78 -6.077 8.921 3.720 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.833 6.791 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.564 9.532 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.302 7.992 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.454 7.953 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.239 9.314 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.013 7.129 6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.413 6.477 6.726 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.608 8.952 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.977 5.691 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.294 5.719 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.021 8.973 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.756 7.568 11.134 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.295 9.456 1.406 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.019 9.989 0.258 1.00 0.00 C ATOM 1277 C LYS A 79 -8.417 9.501 -1.052 1.00 0.00 C ATOM 1278 O LYS A 79 -9.133 9.108 -1.973 1.00 0.00 O ATOM 1279 CB LYS A 79 -9.025 11.518 0.294 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.315 12.131 -0.227 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.382 13.621 0.067 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.023 14.449 -1.157 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.947 15.602 -1.338 1.00 0.00 N ATOM 0 H LYS A 79 -7.516 10.035 1.720 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.045 9.627 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.862 11.850 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.189 11.891 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.389 11.968 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.168 11.630 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.386 13.882 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.701 13.863 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.001 14.815 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.053 13.817 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.668 16.141 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.919 15.252 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.900 16.219 -0.502 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.099 9.539 -1.126 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.381 9.111 -2.321 1.00 0.00 C ATOM 1299 C LYS A 80 -6.522 7.613 -2.544 1.00 0.00 C ATOM 1300 O LYS A 80 -7.003 7.166 -3.585 1.00 0.00 O ATOM 1301 CB LYS A 80 -4.902 9.486 -2.214 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.660 10.983 -2.103 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.035 11.705 -3.388 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.759 13.011 -3.104 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.685 13.950 -4.256 1.00 0.00 N ATOM 0 H LYS A 80 -6.497 9.864 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.821 9.625 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.473 8.991 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.375 9.105 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.242 11.386 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.610 11.167 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.135 11.906 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.670 11.061 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.804 12.804 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.324 13.483 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.191 14.828 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.689 14.169 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.123 13.511 -5.091 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.091 6.851 -1.557 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.152 5.396 -1.621 1.00 0.00 C ATOM 1321 C LEU A 81 -7.571 4.895 -1.363 1.00 0.00 C ATOM 1322 O LEU A 81 -8.033 3.953 -2.007 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.174 4.786 -0.611 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.213 3.260 -0.479 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.419 2.597 -1.833 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -3.932 2.754 0.173 1.00 0.00 C ATOM 0 H LEU A 81 -5.691 7.216 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.865 5.083 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.163 5.081 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.375 5.221 0.368 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.059 2.996 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.442 1.514 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.362 2.933 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.600 2.868 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.973 1.668 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.076 3.037 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.830 3.195 1.165 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.262 5.535 -0.424 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.625 5.141 -0.110 1.00 0.00 C ATOM 1340 C GLY A 82 -9.705 4.168 1.050 1.00 0.00 C ATOM 1341 O GLY A 82 -9.023 4.336 2.061 1.00 0.00 O ATOM 0 H GLY A 82 -7.904 6.317 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.209 6.030 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.079 4.687 -0.991 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.546 3.147 0.903 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.722 2.141 1.944 1.00 0.00 C ATOM 1347 C ALA A 83 -9.399 1.478 2.311 1.00 0.00 C ATOM 1348 O ALA A 83 -9.252 0.922 3.399 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.733 1.095 1.500 1.00 0.00 C ATOM 0 H ALA A 83 -11.117 2.996 0.071 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.099 2.645 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.855 0.350 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.691 1.576 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.378 0.609 0.591 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.438 1.546 1.400 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.125 0.960 1.627 1.00 0.00 C ATOM 1357 C TYR A 84 -6.220 1.932 2.379 1.00 0.00 C ATOM 1358 O TYR A 84 -5.187 1.540 2.920 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.485 0.556 0.298 1.00 0.00 C ATOM 1360 CG TYR A 84 -6.667 -0.907 -0.041 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -7.933 -1.435 -0.262 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.574 -1.758 -0.138 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -8.104 -2.772 -0.570 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.737 -3.096 -0.446 1.00 0.00 C ATOM 1365 CZ TYR A 84 -7.003 -3.597 -0.661 1.00 0.00 C ATOM 1366 OH TYR A 84 -7.170 -4.928 -0.968 1.00 0.00 O ATOM 0 H TYR A 84 -8.544 2.003 0.494 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.251 0.067 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.913 1.162 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.419 0.782 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.797 -0.791 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.581 -1.369 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.095 -3.168 -0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.877 -3.745 -0.518 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.038 -5.235 -0.632 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.615 3.203 2.420 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.826 4.193 3.125 1.00 0.00 C ATOM 1378 C GLY A 85 -5.864 3.965 4.620 1.00 0.00 C ATOM 1379 O GLY A 85 -4.884 4.214 5.322 1.00 0.00 O ATOM 0 H GLY A 85 -7.463 3.561 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.794 4.155 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.203 5.190 2.898 1.00 0.00 H new ATOM 1383 N SER A 86 -7.001 3.475 5.101 1.00 0.00 N ATOM 1384 CA SER A 86 -7.174 3.192 6.518 1.00 0.00 C ATOM 1385 C SER A 86 -6.414 1.928 6.908 1.00 0.00 C ATOM 1386 O SER A 86 -6.153 1.689 8.087 1.00 0.00 O ATOM 1387 CB SER A 86 -8.658 3.035 6.853 1.00 0.00 C ATOM 1388 OG SER A 86 -8.959 3.597 8.119 1.00 0.00 O ATOM 0 H SER A 86 -7.818 3.266 4.527 1.00 0.00 H new ATOM 0 HA SER A 86 -6.772 4.031 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.260 3.519 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.925 1.978 6.848 1.00 0.00 H new ATOM 0 HG SER A 86 -9.914 3.485 8.308 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.056 1.120 5.908 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.320 -0.118 6.151 1.00 0.00 C ATOM 1396 C ARG A 87 -4.127 0.126 7.072 1.00 0.00 C ATOM 1397 O ARG A 87 -3.730 -0.753 7.837 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.844 -0.717 4.831 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.129 -2.201 4.706 1.00 0.00 C ATOM 1400 CD ARG A 87 -6.348 -2.460 3.835 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.591 -2.098 4.511 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.798 -2.475 4.095 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -8.928 -3.225 3.008 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -9.877 -2.099 4.768 1.00 0.00 N ATOM 0 H ARG A 87 -6.264 1.302 4.926 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.994 -0.821 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.326 -0.191 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.771 -0.551 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.262 -2.705 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.290 -2.627 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.260 -1.891 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.379 -3.514 3.559 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.531 -1.523 5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.101 -3.515 2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.855 -3.511 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.782 -1.522 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.802 -2.387 4.450 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.564 1.327 6.994 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.419 1.690 7.821 1.00 0.00 C ATOM 1420 C ILE A 88 -2.816 1.786 9.291 1.00 0.00 C ATOM 1421 O ILE A 88 -3.274 2.832 9.751 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.810 3.035 7.378 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.574 3.043 5.865 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.511 3.305 8.124 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.086 4.293 5.183 1.00 0.00 C ATOM 0 H ILE A 88 -3.882 2.066 6.366 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.674 0.904 7.696 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.515 3.830 7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.506 2.944 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.060 2.173 5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.096 4.259 7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.708 3.342 9.195 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.202 2.508 7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.886 4.232 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.160 4.383 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.581 5.166 5.597 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.642 0.689 10.025 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.986 0.661 11.441 1.00 0.00 C ATOM 1439 C VAL A 89 -1.850 1.214 12.295 1.00 0.00 C ATOM 1440 O VAL A 89 -0.679 1.108 11.933 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.320 -0.770 11.908 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.729 -0.779 13.373 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.414 -1.372 11.041 1.00 0.00 C ATOM 0 H VAL A 89 -2.266 -0.187 9.663 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.867 1.291 11.566 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.423 -1.381 11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.960 -1.799 13.680 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.911 -0.393 13.981 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.610 -0.151 13.509 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.637 -2.382 11.385 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.312 -0.759 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.079 -1.408 10.005 1.00 0.00 H new ATOM 1453 N THR A 90 -2.207 1.802 13.433 1.00 0.00 N ATOM 1454 CA THR A 90 -1.220 2.370 14.345 1.00 0.00 C ATOM 1455 C THR A 90 -1.336 1.732 15.726 1.00 0.00 C ATOM 1456 O THR A 90 -1.944 2.299 16.634 1.00 0.00 O ATOM 1457 CB THR A 90 -1.403 3.885 14.452 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.546 4.465 13.168 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.250 4.579 15.143 1.00 0.00 C ATOM 0 H THR A 90 -3.173 1.898 13.746 1.00 0.00 H new ATOM 0 HA THR A 90 -0.227 2.162 13.947 1.00 0.00 H new ATOM 0 HB THR A 90 -2.303 4.026 15.051 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.664 5.434 13.258 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.443 5.651 15.186 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.144 4.189 16.155 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.670 4.398 14.587 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.753 0.547 15.874 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.795 -0.172 17.142 1.00 0.00 C ATOM 1469 C LEU A 91 0.107 0.491 18.180 1.00 0.00 C ATOM 1470 O LEU A 91 1.283 0.749 17.922 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.375 -1.630 16.936 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.532 -2.624 16.814 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.102 -3.846 16.018 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.032 -3.030 18.192 1.00 0.00 C ATOM 0 H LEU A 91 -0.246 0.064 15.132 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.819 -0.144 17.513 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.235 -1.693 16.035 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.257 -1.932 17.771 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.350 -2.139 16.282 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.937 -4.542 15.941 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.792 -3.539 15.019 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.268 -4.334 16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.855 -3.737 18.087 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.221 -3.498 18.750 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.379 -2.147 18.728 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.453 0.761 19.355 1.00 0.00 N ATOM 1487 CA ARG A 92 0.299 1.390 20.435 1.00 0.00 C ATOM 1488 C ARG A 92 1.232 0.384 21.099 1.00 0.00 C ATOM 1489 O ARG A 92 0.971 -0.086 22.207 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.657 1.983 21.474 1.00 0.00 C ATOM 1491 CG ARG A 92 -0.061 3.141 22.259 1.00 0.00 C ATOM 1492 CD ARG A 92 0.238 2.752 23.698 1.00 0.00 C ATOM 1493 NE ARG A 92 -0.975 2.392 24.433 1.00 0.00 N ATOM 1494 CZ ARG A 92 -1.368 1.140 24.663 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -0.659 0.113 24.207 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -2.480 0.912 25.348 1.00 0.00 N ATOM 0 H ARG A 92 -1.425 0.554 19.583 1.00 0.00 H new ATOM 0 HA ARG A 92 0.901 2.193 20.009 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.562 2.324 20.970 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.956 1.199 22.170 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.857 3.475 21.774 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.753 3.983 22.246 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.932 1.911 23.709 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.734 3.581 24.202 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.557 3.148 24.792 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.195 0.279 23.675 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.969 -0.842 24.389 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.033 1.694 25.698 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.783 -0.046 25.525 1.00 0.00 H new ATOM 1510 N GLY A 93 2.319 0.055 20.411 1.00 0.00 N ATOM 1511 CA GLY A 93 3.276 -0.897 20.943 1.00 0.00 C ATOM 1512 C GLY A 93 3.817 -1.824 19.876 1.00 0.00 C ATOM 1513 O GLY A 93 4.941 -2.315 19.982 1.00 0.00 O ATOM 0 H GLY A 93 2.555 0.431 19.493 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.102 -0.358 21.406 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.801 -1.487 21.727 1.00 0.00 H new ATOM 1517 N VAL A 94 3.018 -2.061 18.842 1.00 0.00 N ATOM 1518 CA VAL A 94 3.424 -2.931 17.748 1.00 0.00 C ATOM 1519 C VAL A 94 4.091 -2.129 16.637 1.00 0.00 C ATOM 1520 O VAL A 94 5.196 -2.451 16.202 1.00 0.00 O ATOM 1521 CB VAL A 94 2.226 -3.697 17.153 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.711 -4.828 16.261 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.315 -4.226 18.253 1.00 0.00 C ATOM 0 H VAL A 94 2.085 -1.662 18.740 1.00 0.00 H new ATOM 0 HA VAL A 94 4.132 -3.648 18.164 1.00 0.00 H new ATOM 0 HB VAL A 94 1.645 -3.004 16.545 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.853 -5.359 15.848 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.310 -4.419 15.447 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.318 -5.518 16.847 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.478 -4.762 17.806 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.877 -4.903 18.897 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.937 -3.392 18.845 1.00 0.00 H new ATOM 1533 N GLY A 95 3.408 -1.083 16.184 1.00 0.00 N ATOM 1534 CA GLY A 95 3.946 -0.248 15.128 1.00 0.00 C ATOM 1535 C GLY A 95 2.923 0.058 14.054 1.00 0.00 C ATOM 1536 O GLY A 95 1.967 0.798 14.288 1.00 0.00 O ATOM 0 H GLY A 95 2.491 -0.799 16.530 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.309 0.686 15.557 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.804 -0.746 14.677 1.00 0.00 H new ATOM 1540 N TYR A 96 3.124 -0.512 12.872 1.00 0.00 N ATOM 1541 CA TYR A 96 2.214 -0.297 11.756 1.00 0.00 C ATOM 1542 C TYR A 96 1.744 -1.626 11.177 1.00 0.00 C ATOM 1543 O TYR A 96 2.511 -2.341 10.533 1.00 0.00 O ATOM 1544 CB TYR A 96 2.899 0.535 10.671 1.00 0.00 C ATOM 1545 CG TYR A 96 2.696 2.025 10.831 1.00 0.00 C ATOM 1546 CD1 TYR A 96 3.195 2.698 11.940 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.007 2.758 9.874 1.00 0.00 C ATOM 1548 CE1 TYR A 96 3.013 4.060 12.089 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.821 4.120 10.016 1.00 0.00 C ATOM 1550 CZ TYR A 96 2.326 4.766 11.125 1.00 0.00 C ATOM 1551 OH TYR A 96 2.142 6.122 11.269 1.00 0.00 O ATOM 0 H TYR A 96 3.910 -1.127 12.662 1.00 0.00 H new ATOM 0 HA TYR A 96 1.343 0.245 12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.967 0.319 10.680 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.520 0.228 9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.734 2.148 12.697 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.610 2.256 9.004 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.407 4.569 12.956 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.283 4.676 9.262 1.00 0.00 H new ATOM 0 HH TYR A 96 1.639 6.467 10.502 1.00 0.00 H new ATOM 1561 N LEU A 97 0.479 -1.955 11.417 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.092 -3.203 10.925 1.00 0.00 C ATOM 1563 C LEU A 97 -1.067 -2.953 9.778 1.00 0.00 C ATOM 1564 O LEU A 97 -2.220 -2.586 10.001 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.805 -3.941 12.060 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.046 -5.430 11.813 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.064 -5.629 10.701 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.260 -6.132 11.474 1.00 0.00 C ATOM 0 H LEU A 97 -0.170 -1.375 11.949 1.00 0.00 H new ATOM 0 HA LEU A 97 0.725 -3.819 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.217 -3.830 12.971 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.765 -3.458 12.240 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.446 -5.870 12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.223 -6.695 10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.007 -5.161 10.983 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.693 -5.174 9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.070 -7.191 11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.688 -5.689 10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.959 -6.019 12.303 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.601 -3.161 8.552 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.440 -2.963 7.374 1.00 0.00 C ATOM 1582 C PHE A 98 -2.516 -4.043 7.300 1.00 0.00 C ATOM 1583 O PHE A 98 -2.483 -4.912 6.430 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.582 -2.990 6.107 1.00 0.00 C ATOM 1585 CG PHE A 98 -1.134 -2.160 4.983 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -0.970 -0.784 4.973 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -1.815 -2.758 3.934 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -1.474 -0.020 3.938 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -2.322 -1.998 2.897 1.00 0.00 C ATOM 1590 CZ PHE A 98 -2.151 -0.628 2.898 1.00 0.00 C ATOM 0 H PHE A 98 0.351 -3.466 8.347 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.926 -1.991 7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.420 -2.635 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.482 -4.021 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.442 -0.303 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.951 -3.829 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.339 1.052 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.852 -2.476 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.545 -0.033 2.088 1.00 0.00 H new ATOM 1600 N SER A 99 -3.469 -3.981 8.223 1.00 0.00 N ATOM 1601 CA SER A 99 -4.554 -4.957 8.273 1.00 0.00 C ATOM 1602 C SER A 99 -5.422 -4.885 7.021 1.00 0.00 C ATOM 1603 O SER A 99 -6.347 -4.077 6.941 1.00 0.00 O ATOM 1604 CB SER A 99 -5.415 -4.727 9.516 1.00 0.00 C ATOM 1605 OG SER A 99 -5.889 -3.393 9.570 1.00 0.00 O ATOM 0 H SER A 99 -3.513 -3.265 8.948 1.00 0.00 H new ATOM 0 HA SER A 99 -4.108 -5.950 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.260 -5.416 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.832 -4.945 10.411 1.00 0.00 H new ATOM 0 HG SER A 99 -6.222 -3.128 8.687 1.00 0.00 H new